CID 13529741

(3s,4s)-2,5-dimethylhexane-3,4-diamine dihydrochloride

Structural Information

Molecular Formula
C8H20N2
SMILES
CC(C)C(C(C(C)C)N)N
InChI
InChI=1S/C8H20N2/c1-5(2)7(9)8(10)6(3)4/h5-8H,9-10H2,1-4H3
InChIKey
KQDYUNYMUMMKOL-UHFFFAOYSA-N
Compound name
2,5-dimethylhexane-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

144.16264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.16992 139.5
[M+Na]+ 167.15186 143.3
[M-H]- 143.15536 138.6
[M+NH4]+ 162.19646 159.8
[M+K]+ 183.12580 143.7
[M+H-H2O]+ 127.15990 134.1
[M+HCOO]- 189.16084 159.3
[M+CH3COO]- 203.17649 185.2
[M+Na-2H]- 165.13731 138.4
[M]+ 144.16209 135.1
[M]- 144.16319 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe